[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]-piperidin-1-yl-methanone

Systemtic Name: [1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]-piperidin-1-yl-methanone Openeye Name: [1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]-(1-piperidyl)methanone CAS Name: [1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolyl]-(1-piperidinyl)methanone IUPAC Name: [1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]-piperidin-1-ylmethanone Traditional Name: [1-phenyl-5-[(2-pyrimidylthio)methyl]triazol-4-yl]-piperidino-methanone Formula: C19H20N6OS MolecularWeight: 380.4667

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=C(N(N=N2)C3=CC=CC=C3)CSC4=NC=CC=N4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=C(N(N=N2)C3=CC=CC=C3)CSC4=NC=CC=N4

InChI

InChI=1S/C19H20N6OS/c26-18(24-12-5-2-6-13-24)17-16(14-27-19-20-10-7-11-21-19)25(23-22-17)15-8-3-1-4-9-15/h1,3-4,7-11H,2,5-6,12-14H2